Glycoside
GD120356
Name:
2-(hydroxymethyl)-6-[(4,5,6-trihydroxy-2-{14-hydroxy-7,7,12,16-tetramethyl-6-[(3,4,5-trihydroxyoxan-2-yl)oxy]pentacyclo[9.7.0.0¹,³.0³,â¸.0¹²,¹â¶]octadecan-15-yl}-6-methylheptan-3-yl)oxy]oxane-3,4,5-triolFormula:
C41H70O15Smiles:
CC(C(OC1OC(CO)C(O)C(O)C1O)C(O)C(O)C(C)(C)O)C1C(O)CC2(C)C3CCC4C(C)(C)C(OC5OCC(O)C(O)C5O)CCC45CC35CCC12CAglycone:
CCC1C(O)CC2(C)C3CCC4C(C)(C)C(O)CCC45CC35CCC12CSugarmoiety:
CC(C)(O)C(O)C(O)C(O)OC1OC(CO)C(O)C(O)C1O.OC1COC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 15 | RingCount: | 7 |
| HBD: | 11 | FractionCSP3: | 1.0 |
| AlogP: | -0.47 | Num_rotatable_bonds: | 10 |
| MolWt: | 803.0 | Num_heavy_atoms: | 56 |
| TPSA: | 259.45 | NumAromaticRings: | 0 |
Unique Aglycone
AD48342
Formula: C24H40O2
Smiles:
CCC1C(O)CC2(C)C3CCC4C(C)(C)C(O)CCC45CC35CCC12C| HBA: | 2 | RingCount: | 5 |
| HBD: | 2 | FractionCSP3: | 1.0 |
| AlogP: | 5.17 | Num_rotatable_bonds: | 1 |
| MolWt: | 360.58 | Num_heavy_atoms: | 26 |
| TPSA: | 40.46 | NumAromaticRings: | 0 |
